3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one

C17H18N2O3S — CID 3862186

IUPAC3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCOc1cccc(CN2C(=O)CSC2c2cccnc2)c1OC
InChIInChI=1S/C17H18N2O3S/c1-21-14-7-3-5-13(16(14)22-2)10-19-15(20)11-23-17(19)12-6-4-8-18-9-12/h3-9,17H,10-11H2,1-2H3
InChIKeyDEPRYPFBXJFJPX-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.87
Rot. Bonds5

About 3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one

3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 3862186) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID3862186
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCOc1cccc(CN2C(=O)CSC2c2cccnc2)c1OC
InChIInChI=1S/C17H18N2O3S/c1-21-14-7-3-5-13(16(14)22-2)10-19-15(20)11-23-17(19)12-6-4-8-18-9-12/h3-9,17H,10-11H2,1-2H3
InChIKeyDEPRYPFBXJFJPX-UHFFFAOYSA-N
XLogP2.87
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925536
3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3313737
2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 2732021
(2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6924944
2-(2,3-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3857422
2-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3866399
2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3856405
2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 87150934
3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2732020
3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3840878
3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3396492
2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3871494

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 3862186) is 3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one is COc1cccc(CN2C(=O)CSC2c2cccnc2)c1OC.
What is the InChIKey of 3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is DEPRYPFBXJFJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-21-14-7-3-5-13(16(14)22-2)10-19-15(20)11-23-17(19)12-6-4-8-18-9-12/h3-9,17H,10-11H2,1-2H3.
What are the key properties of 3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 330.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3862186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).